[4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol

C12H11IOS — CID 118628504

IUPAC[4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol
SMILESOCc1cc(Cc2cccc(I)c2)cs1
InChIInChI=1S/C12H11IOS/c13-11-3-1-2-9(5-11)4-10-6-12(7-14)15-8-10/h1-3,5-6,8,14H,4,7H2
InChIKeyMBHJAVQQIZGNMC-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.44
Rot. Bonds3

About [4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol

[4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol (PubChem CID 118628504) has the molecular formula C12H11IOS and a molecular weight of 330.19 g/mol. Its IUPAC name is [4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol
PubChem CID118628504
Molecular FormulaC12H11IOS
Molecular Weight330.19 g/mol
Exact Mass329.96
IUPAC Name[4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol
SMILESOCc1cc(Cc2cccc(I)c2)cs1
InChIInChI=1S/C12H11IOS/c13-11-3-1-2-9(5-11)4-10-6-12(7-14)15-8-10/h1-3,5-6,8,14H,4,7H2
InChIKeyMBHJAVQQIZGNMC-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
(4-ethylthiophen-2-yl)methanol
CID 23261287
2-(3-iodophenyl)ethanol
CID 15169850
1-(chloromethyl)-3-iodobenzene
CID 13059978
2-(3-iodophenyl)-N-methylacetamide
CID 130614224
[5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol
CID 59007683
(3-iodophenyl)methyl hypoiodite
CID 167240125
tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane
CID 131745414
1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene
CID 101115926
4-[(3-iodophenyl)methyl]-1,2,4-triazole
CID 20823864
3-(3-iodophenyl)-2-oxopropanoic acid
CID 127018945
4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid
CID 71187316

Frequently Asked Questions

What is the IUPAC name of [4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol?
The IUPAC name of [4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol (CID 118628504) is [4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol?
The canonical SMILES for [4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol is OCc1cc(Cc2cccc(I)c2)cs1.
What is the InChIKey of [4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol?
The InChIKey is MBHJAVQQIZGNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IOS/c13-11-3-1-2-9(5-11)4-10-6-12(7-14)15-8-10/h1-3,5-6,8,14H,4,7H2.
What are the key properties of [4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol?
[4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol has a molecular weight of 330.19 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-iodophenyl)methyl]thiophen-2-yl]methanol is sourced from PubChem (CID 118628504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).